Stacking fault effects in Mg-doped GaN

T. M. Schmidt, R. H. Miwa, W. Orellana, H. Chacham

Resultado de la investigación: Article

7 Citas (Scopus)

Resumen

First-principles total energy calculations are performed to investigate the interaction of a stacking fault with a p-type impurity in both zinc-blende and wurtzite GaN. For both structures we find that, in the presence of a stacking fault, the impurity level is a more localized state in the band gap. In zinc-blende GaN, the minimum energy position of the substitutional Mg atom is at the plane of the stacking fault. In contrast, in wurtzite GaN the substitutional Mg atom at the plane of the stacking fault is a local minimum and the global minimum is the substitutional Mg far from the fault. This behavior can be understood as a packing effect which induces a distinct strain relief process, since the local structure of the stacking fault in zinc-blende GaN is similar to fault-free wurtzite GaN and vice-versa.

Idioma originalEnglish
Número de artículo033205
Páginas (desde-hasta)332051-332054
Número de páginas4
PublicaciónPhysical Review B - Condensed Matter and Materials Physics
Volumen65
N.º3
EstadoPublished - 15 ene 2002

Huella dactilar

Stacking faults
crystal defects
wurtzite
Zinc
zinc
Impurities
impurities
Atoms
atoms
Energy gap
energy
interactions

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Citar esto

Schmidt, T. M., Miwa, R. H., Orellana, W., & Chacham, H. (2002). Stacking fault effects in Mg-doped GaN. Physical Review B - Condensed Matter and Materials Physics, 65(3), 332051-332054. [033205].
Schmidt, T. M. ; Miwa, R. H. ; Orellana, W. ; Chacham, H. / Stacking fault effects in Mg-doped GaN. En: Physical Review B - Condensed Matter and Materials Physics. 2002 ; Vol. 65, N.º 3. pp. 332051-332054.
@article{d9401d72e2594bc9b59940152ab2d6e5,
title = "Stacking fault effects in Mg-doped GaN",
abstract = "First-principles total energy calculations are performed to investigate the interaction of a stacking fault with a p-type impurity in both zinc-blende and wurtzite GaN. For both structures we find that, in the presence of a stacking fault, the impurity level is a more localized state in the band gap. In zinc-blende GaN, the minimum energy position of the substitutional Mg atom is at the plane of the stacking fault. In contrast, in wurtzite GaN the substitutional Mg atom at the plane of the stacking fault is a local minimum and the global minimum is the substitutional Mg far from the fault. This behavior can be understood as a packing effect which induces a distinct strain relief process, since the local structure of the stacking fault in zinc-blende GaN is similar to fault-free wurtzite GaN and vice-versa.",
author = "Schmidt, {T. M.} and Miwa, {R. H.} and W. Orellana and H. Chacham",
year = "2002",
month = "1",
day = "15",
language = "English",
volume = "65",
pages = "332051--332054",
journal = "Physical Review B-Condensed Matter",
issn = "1098-0121",
publisher = "American Physical Society",
number = "3",

}

Schmidt, TM, Miwa, RH, Orellana, W & Chacham, H 2002, 'Stacking fault effects in Mg-doped GaN', Physical Review B - Condensed Matter and Materials Physics, vol. 65, n.º 3, 033205, pp. 332051-332054.

Stacking fault effects in Mg-doped GaN. / Schmidt, T. M.; Miwa, R. H.; Orellana, W.; Chacham, H.

En: Physical Review B - Condensed Matter and Materials Physics, Vol. 65, N.º 3, 033205, 15.01.2002, p. 332051-332054.

Resultado de la investigación: Article

TY - JOUR

T1 - Stacking fault effects in Mg-doped GaN

AU - Schmidt, T. M.

AU - Miwa, R. H.

AU - Orellana, W.

AU - Chacham, H.

PY - 2002/1/15

Y1 - 2002/1/15

N2 - First-principles total energy calculations are performed to investigate the interaction of a stacking fault with a p-type impurity in both zinc-blende and wurtzite GaN. For both structures we find that, in the presence of a stacking fault, the impurity level is a more localized state in the band gap. In zinc-blende GaN, the minimum energy position of the substitutional Mg atom is at the plane of the stacking fault. In contrast, in wurtzite GaN the substitutional Mg atom at the plane of the stacking fault is a local minimum and the global minimum is the substitutional Mg far from the fault. This behavior can be understood as a packing effect which induces a distinct strain relief process, since the local structure of the stacking fault in zinc-blende GaN is similar to fault-free wurtzite GaN and vice-versa.

AB - First-principles total energy calculations are performed to investigate the interaction of a stacking fault with a p-type impurity in both zinc-blende and wurtzite GaN. For both structures we find that, in the presence of a stacking fault, the impurity level is a more localized state in the band gap. In zinc-blende GaN, the minimum energy position of the substitutional Mg atom is at the plane of the stacking fault. In contrast, in wurtzite GaN the substitutional Mg atom at the plane of the stacking fault is a local minimum and the global minimum is the substitutional Mg far from the fault. This behavior can be understood as a packing effect which induces a distinct strain relief process, since the local structure of the stacking fault in zinc-blende GaN is similar to fault-free wurtzite GaN and vice-versa.

UR - http://www.scopus.com/inward/record.url?scp=0037080813&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0037080813

VL - 65

SP - 332051

EP - 332054

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 3

M1 - 033205

ER -

Schmidt TM, Miwa RH, Orellana W, Chacham H. Stacking fault effects in Mg-doped GaN. Physical Review B - Condensed Matter and Materials Physics. 2002 ene 15;65(3):332051-332054. 033205.